SCHEMBL189454

SCHEMBL189454

CN(C)CCc1ccc(N)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.67
TAAR1 Q96RJ0 3/20 0.61
GFER P55789 1/20 0.59
SIGMAR1 Q99720 1/20 0.51
MAOB P27338 3/20 0.50
MAOA P21397 2/20 0.50
HTR6 P50406 1/20 0.47
AOC3 Q16853 2/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NUDT1 P36639 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6675945 0.98 HRH3 (0.64) HRH3TAAR1GFERSIGMAR1MAOB
SCHEMBL5708331 0.98 HRH3 (0.64) HRH3TAAR1GFERSIGMAR1MAOB
SCHEMBL18762839 0.87 HRH3 (0.84) HRH3TAAR1SIGMAR1AOC3ALDH1A1
SCHEMBL1728762 0.86 GFER (0.54) HRH3TAAR1GFERSIGMAR1MAOB
SCHEMBL9627913 0.86 SIGMAR1 (0.66) HRH3TAAR1GFERSIGMAR1MAOB
Hydrochloric Acid SCHEMBL3563729 0.85 MAOB (0.55) HRH3TAAR1GFERSIGMAR1MAOB
SCHEMBL8076000 0.85 SIGMAR1 (0.62) HRH3TAAR1GFERSIGMAR1MAOB
SCHEMBL15807549 0.83 SIGMAR1 (0.66) HRH3GFERSIGMAR1MAOB
SCHEMBL27274534 0.80 SIGMAR1 (0.56) HRH3GFERSIGMAR1MAOBMAOA
SCHEMBL18789268 0.80 GFER (0.65) HRH3GFERSIGMAR1MAOBMAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 239 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250186447-A1 WEE1 KINASE INHIBITORS AND METHODS OF TREATING CANCER USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2025-06-12 US disclosed
US-12264169-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners (US) 2025-04-01 US disclosed
US-12220415-B2 WEE1 kinase inhibitors and methods of treating cancer using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2025-02-11 US disclosed
CN-118176195-A Pyrazolo [3,4-d ] pyrimidine-3-ketone compound and medical application thereof 正大天晴药业集团股份有限公司 2024-06-11 CN disclosed
WO-2023237759-A1 DIHYDRO[1,8]NAPHTHYRIDIN-7-ONE AND PYRIDO[3,2-B][1,4]OXAZIN-3-ONE FOR USE IN TREATING CANCER, AND METASTASES IN PARTICULAR ANAGENESIS BIOTECHNOLOGIES (FR) 2023-12-14 WO disclosed
WO-2023237759-A1 DIHYDRO[1,8]NAPHTHYRIDIN-7-ONE AND PYRIDO[3,2-B][1,4]OXAZIN-3-ONE FOR USE IN TREATING CANCER, AND METASTASES IN PARTICULAR ANAGENESIS BIOTECHNOLOGIES (FR) 2023-12-14 WO disclosed
EP-4289427-A1 DIHYDRO[1,8]NAPHTHYRIDIN-7-ONE AND PYRIDO[3,2-B][1,4]OXAZIN-3-ONE FOR USE IN TREATING CANCER, AND METASTASES IN PARTICULAR. Anagenesis Biotechnologies (FR) 2023-12-13 EP disclosed
US-20230391730-A1 INHIBITORS OF THE BROMODOMAIN PHD FINGER TRANSCRIPTION FACTOR (BPTF) AS ANTI-CANCER AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA 2023-12-07 US disclosed
US-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2023-11-23 US disclosed
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-11-02 US disclosed
US-6291470-B1 DELTA-OPIOID ANTAGONIST HAVING HIGH SELECTIVITY AND ACTIVITY, THAT EXHIBITS IMMUNOSUPPRESSIVE ACTION, ANTIALLERGIC ACTION, ANTI-INFLAMMATORY ACTION AND BRAIN CELL-PROTECTING ACTION TORAY INDUSTRIES, INC. (JP) 2001-09-18 US disclosed
EP-1115704-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-07-18 EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed
WO-2001027080-A2 5-SUBSTITUTED INDOLINONES AND USE THEREOF AS KINASE AND CYCLIN/CDK COMPLEX INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed
WO-2001016130-A1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-08 WO disclosed
WO-2000040565-A1 TETRAHYDROINDAZOLE DERIVATIVES AS LIGANDS FOR GABA-A ALPHA 5 RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2000-07-13 WO disclosed
US-6087369-A AN IMMUNOSUPPRESSIVE AGENT, ANTIALLERGIC AGENT, ANTI-INFLAMMATORY AGENT AND BRAIN CELL-PROTECTING AGENT TORAY INDUSTRIES, LTD. (JP) 2000-07-11 US disclosed
WO-2000018734-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-04-06 WO disclosed
EP-0614898-A1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-09-14 EP disclosed
US-4431585-A THIAZOLE AND THIOPHENE DYES; DIAZOTIZATION; COUPLING CASSELLA AKTIENGESELLSCHAFT (DE) 1984-02-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12220415-B2 WEE1 kinase inhibitors and methods of treating cancer using the same WEE1, WEE2, NME1 HRH3 2958/4885TAAR1 4678/4885GFER 3742/4885
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C HRH3 1706/4885TAAR1 2099/4885GFER 2160/4885
US-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, SMAD3 HRH3 380/4885TAAR1 1492/4885GFER 2585/4885
US-12264169-B2 Heteroaryl inhibitors of PDE4 PDE4A, PDE4B, PDE4C HRH3 1706/4885TAAR1 2099/4885GFER 2160/4885
US-20250186447-A1 WEE1 KINASE INHIBITORS AND METHODS OF TREATING CANCER USING THE SAME WEE1, WEE2, NME1 HRH3 2958/4885TAAR1 4678/4885GFER 3742/4885
US-20230391730-A1 INHIBITORS OF THE BROMODOMAIN PHD FINGER TRANSCRIPTION FACTOR (BPTF) AS ANTI-CANCER AGENTS BPTF, BRPF3, PHF6 HRH3 254/4885TAAR1 1598/4885GFER 3314/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.